2-(1-ethanoylpiperidin-4-yl)ethyl-triphenyl-phosphanium bromide

Systemtic Name: 2-(1-ethanoylpiperidin-4-yl)ethyl-triphenyl-phosphanium bromide Openeye Name: 2-(1-acetyl-4-piperidyl)ethyl-triphenyl-phosphonium bromide CAS Name: 2-(1-acetyl-4-piperidinyl)ethyl-triphenylphosphonium bromide IUPAC Name: 2-(1-acetylpiperidin-4-yl)ethyl-triphenylphosphanium bromide Traditional Name: 2-(1-acetyl-4-piperidyl)ethyl-triphenyl-phosphonium bromide Formula: C27H31BrNOP MolecularWeight: 496.418901

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CC(=O)N1CCC(CC1)CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C27H31NOP.BrH/c1-23(29)28-20-17-24(18-21-28)19-22-30(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27;/h2-16,24H,17-22H2,1H3;1H/q+1;/p-1